| SpectraBase Compound ID | 9Ck2BHxR4CC |
|---|---|
| InChI | InChI=1S/C9H15NO/c1-9(2)8(5-6-10)4-3-7-11-9/h8H,3-5,7H2,1-2H3 |
| InChIKey | RLZUUJBGXTWNGX-UHFFFAOYSA-N |
| Mol Weight | 153.22 g/mol |
| Molecular Formula | C9H15NO |
| Exact Mass | 153.115364 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FqLJtA7QV1G |
|---|---|
| Name | 2H-Pyran-3-acetonitrile, tetrahydro-2,2-dimethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 153.115364106 u |
| Formula | C9H15NO |
| InChI | InChI=1S/C9H15NO/c1-9(2)8(5-6-10)4-3-7-11-9/h8H,3-5,7H2,1-2H3 |
| InChIKey | RLZUUJBGXTWNGX-UHFFFAOYSA-N |
| Molecular Weight | 153.225 g/mol |
| SMILES | C(#N)CC1C(OCCC1)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.912205 |